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Information card for entry 7061199
Preview
Coordinates | 7061199.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H32 Cu I O2 P2 |
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Calculated formula | C40 H32 Cu I O2 P2 |
Title of publication | Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies |
Authors of publication | Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 7 |
Pages of publication | 3236 - 3247 |
a | 12.132 ± 0.0001 Å |
b | 12.5512 ± 0.0002 Å |
c | 12.9308 ± 0.0001 Å |
α | 91.483 ± 0.001° |
β | 108.89 ± 0.001° |
γ | 113.913 ± 0.001° |
Cell volume | 1674.7 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0337 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
273396 (current) | 2022-03-05 | cif/ Updating files of 7061196, 7061197, 7061198, 7061199, 7061200, 7061201, 7061202 Original log message: Adding full bibliography for 7061196--7061202.cif. |
7061199.cif |
272092 | 2022-01-18 | cif/ Adding structures of 7061196, 7061197, 7061198, 7061199, 7061200, 7061201, 7061202 via cif-deposit CGI script. |
7061199.cif |
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Users of the data should acknowledge the original authors of the
structural data.